Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFLPLYTSQVLDRVISSESVSTLTMLTIITLSAFACSAMLETCRYLAMAKIGDWIDKAVTPDLIVRSIRLTSVQSSASSGEAIRDLGVIKNFITGNSIFSLFDTPWSLIYLVVIFMIHTSTGFIATIGIIILVSMAVWNELATKRILQETNEETIRNINAIDVATRNAEVVEAMGMSEFIVSDWCKRNDQNRAMQIKAQNRSNVITGITKFLRSTLQISVIGTGALLAITAHKTAGSIIAASILMGRVLAPFDAAVHTWKFLNQARMSYERLQRLILTSPKREQTMALPEPAGKLEFDRVFFT-PYGSNKSTIKGVSFVIEPGDVVGVIGPSASGKSTIAKLTVGVWKPISGVVRLDGADVYTWNREIFGNYVGYLPQDIELFNTSVKANIARMRPDPNTEEIIKAAKIAGIHELILSLPNGYDTTIGNFGVTLSGGQKQLLGLARAFYGNTKLLVLDEPNANLDSNGEACLINAINVARKQNTTTIIITHKLPLLSLADKVILMSDGVIYTMGPRDEILSKLVASSSNTTEDEHSSVSG |
2GHI Chain:D ((18-241)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IEFSDVNFSY-----HRTLKSINFFIPSGTTCALVGHTGSGKSTIAKLLYRFYDA-EGDIKIGGKNVNKYNRNSIRSIIGIVPQDTILFNETIKYNILYGKLDATDEEVIKATKSAQLYDFIEALPKKWDTIV------LSGGERQRIAIARCLLKDPKIVIFD------DSKTEYLFQKAVED----NRTLIIIAHRLSTISSAESIILLNKGKIVEKGTHKDLLKLNGEYAEMWNMQ------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GHI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168787 for 1544 contacts (-109.3/contact) +
2D Compatibility (PS) -22591 + (NN) -11602 + (LL) 26748
1D Compatibility (HY) -18800 + (ID) 3750
Total energy: -198782.0 ( -128.74 by residue)
QMean score : 0.568
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